Geometry & MOs

Info

ID:	135231
PubChem CID:	51836989
Reduced:	N3O8C26H27 (1)
Stoich.:	A3B8C26D27 (1)
Weight, g/mol:	448.272593
ΔH_f, kcal/mol:	-192.16
Dipole, Da:	6.56
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-3-ethyl-2-[(5-methylfuran-2-yl)methyl-(3-phenylprop-2-ynoyl)amino]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN([C@@H](C2=CC3=C(C=C2)OCO3)C(=O)NC(C)(C)C)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])O

DOS

IR

Vibrations